Vitas-M small molecule compound
2-{[5-(7-methoxy-1-benzofuran-2-yl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-1-(4-methylphenyl)ethanone
Catalog ID
STK278655
SMILES C=CCn1c(SCC(=O)c2ccc(cc2)C)nnc1c1cc2c(o1)c(OC)ccc2
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We supply compounds in quantities from 1 mg up to 5 g for research and development purposes only.
We do not supply quantities above 5 g.
Structure and other identifiers
2D representation rendered from the SMILES, with core physicochemical data.Formula C23H21N3O3S MW 419.50 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H21N3O3S/c1-4-12-26-22(20-13-17-6-5-7-19(28-3)21(17)29-20)24-25-23(26)30-14-18(27)16-10-8-15(2)9-11-16/h4-11,13H,1,12,14H2,2-3H3InChIKey
MDKCJLMZEIAMFH-UHFFFAOYSA-NSynonyms
2((5(7METHOXY1BENZOFURAN2YL)4(PROP2EN1YL)4H124TRIAZOL3YL)SULFANYL)1(4METHYLPHENYL)ETHANONE
2((5(7methoxy1benzofuran2yl)4prop2enyl124triazol3yl)sulfanyl)1(4methylphenyl)ethanone
2(4ALLYL5(7METHOXYBENZOFURAN2YL)4H(124)TRIAZOL3YLSULFANYL)1PTOLYLETHANONE
CC1=CC=C(C=C1)C(=O)CSC2=NN=C(N2CC=C)C3=CC4=C(O3)C(=CC=C4)OC
InChI=1SC23H21N3O3Sc14122622(20131765719(283)21(17)2920)242523(26)301418(27)1610815(2)91116h41113H11214H223H3
MFCD09269442
ZINC000009095797
ZINC09095797
ZINC9095797
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